[2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-2-(4-cyanophenoxy)propanoate

Systemtic Name: [2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-2-(4-cyanophenoxy)propanoate Openeye Name: [2-(butylcarbamoylamino)-2-oxo-ethyl] (2S)-2-(4-cyanophenoxy)propanoate CAS Name: (2S)-2-(4-cyanophenoxy)propanoic acid [2-[[butylamino(oxo)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(butylcarbamoylamino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate Traditional Name: (2S)-2-(4-cyanophenoxy)propionic acid [2-(butylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H21N3O5 MolecularWeight: 347.36574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)COC(=O)C(C)OC1=CC=C(C=C1)C#N

Isomeric SMILES

CCCCNC(=O)NC(=O)COC(=O)[C@H](C)OC1=CC=C(C=C1)C#N

InChI

InChI=1S/C17H21N3O5/c1-3-4-9-19-17(23)20-15(21)11-24-16(22)12(2)25-14-7-5-13(10-18)6-8-14/h5-8,12H,3-4,9,11H2,1-2H3,(H2,19,20,21,23)/t12-/m0/s1